Benzoic acid,2-amino-4-ethyl-5-iodo-, methyl ester (912575-12-3)

The systematic name of 2-Amino-5-iodobenzoic acid ethyl ester is Ethyl 2-amino-5-iodo-benzoate. With the CAS registry number 912575-12-3, it is also named as Benzoic acid,2-amino-4-ethyl-5-iodo-, methyl ester. The product's categories are Organic Intermediates; Pesticide Intermediates; Essence and Spice Intermediates. Besides, it is light yellow solid, which is used as intermediate in organic syntheses. In addition, its molecular formula is C₉H₁₀INO₂ and molecular weight is 291.09.

The other characteristics of 2-Amino-5-iodobenzoic acid ethyl ester can be summarized as: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)H bond acceptors: 3; (6)H bond donors: 2; (7)Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.32 Å²; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 59.8 cm³; (11)Molar Volume: 168.1 cm³; (12)Polarizability: 23.7×10^-24cm³; (13)Surface Tension: 52.7 dyne/cm; (14)Density: 1.73 g/cm³; (15)Flash Point: 164.2 °C; (16)Melting point: 70-72 °C; (17)Enthalpy of Vaporization: 59.22 kJ/mol; (18)Boiling Point: 347.9 °C at 760 mmHg; (19)Vapour Pressure: 5.23E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCC)c1cc(I)ccc1N
(2)InChI:InChI=1/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey:FPCLHSGOJPEKKE-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(5)Std. InChIKey:FPCLHSGOJPEKKE-UHFFFAOYSA-N